1-(2-bromo-6-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine

C14H11BrCl2FN — CID 114886632

IUPAC1-(2-bromo-6-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine
SMILESNC(Cc1c(Cl)cccc1Cl)c1c(F)cccc1Br
InChIInChI=1S/C14H11BrCl2FN/c15-9-3-1-6-12(18)14(9)13(19)7-8-10(16)4-2-5-11(8)17/h1-6,13H,7,19H2
InChIKeyYZBMNPRDSTZWPM-UHFFFAOYSA-N
MW363.06 g/mol
LogP5.14
Rot. Bonds3

About 1-(2-bromo-6-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine

1-(2-bromo-6-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine (PubChem CID 114886632) has the molecular formula C14H11BrCl2FN and a molecular weight of 363.06 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine
PubChem CID114886632
Molecular FormulaC14H11BrCl2FN
Molecular Weight363.06 g/mol
Exact Mass360.94
IUPAC Name1-(2-bromo-6-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine
SMILESNC(Cc1c(Cl)cccc1Cl)c1c(F)cccc1Br
InChIInChI=1S/C14H11BrCl2FN/c15-9-3-1-6-12(18)14(9)13(19)7-8-10(16)4-2-5-11(8)17/h1-6,13H,7,19H2
InChIKeyYZBMNPRDSTZWPM-UHFFFAOYSA-N
XLogP5.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.06
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-6-fluorophenyl)-2-(2,6-dimethylphenyl)ethanamine
CID 114886689
(1S)-1-(2-bromo-6-fluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 171223217
1-(2-bromo-6-fluorophenyl)-2-(3-fluorophenyl)ethanamine
CID 114559896
(1S)-1-(2-bromo-6-fluorophenyl)butane-1,4-diamine
CID 171223208
1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine
CID 62829669
1-(2-bromo-6-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanamine
CID 114886786
(3S)-3-amino-3-(2-bromo-6-fluorophenyl)propan-1-ol;hydrochloride
CID 171223240
(1S)-1-(2-chloro-6-fluorophenyl)-2-fluoroethanamine
CID 124707714
1-(2-bromo-6-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine
CID 114886671
1-(2-bromo-4-fluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 61079951
2-(5-bromo-2-fluorophenyl)-1-(2-chloro-6-fluorophenyl)ethanamine
CID 115839362
(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methanamine
CID 114886783

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine (CID 114886632) is 1-(2-bromo-6-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine is NC(Cc1c(Cl)cccc1Cl)c1c(F)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine?
The InChIKey is YZBMNPRDSTZWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2FN/c15-9-3-1-6-12(18)14(9)13(19)7-8-10(16)4-2-5-11(8)17/h1-6,13H,7,19H2.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine?
1-(2-bromo-6-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine has a molecular weight of 363.06 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine is sourced from PubChem (CID 114886632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).